6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one

C50H50F4N10O7 — CID 159294332

IUPAC6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one
SMILESCCCOCN1C(=O)C(F)(F)c2ccc(-c3cc4ncn(C5CC5)c4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)cc21.C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C3(F)F)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C27H29F2N5O4.C23H21F2N5O3/c1-3-8-37-14-34-22-9-16(4-7-19(22)27(28,29)26(34)36)20-11-21-24(33(13-31-21)18-5-6-18)25(32-20)38-15(2)17-10-23(35)30-12-17;1-11(13-7-19(31)26-9-13)33-21-20-18(27-10-30(20)14-3-4-14)8-16(28-21)12-2-5-15-17(6-12)29-22(32)23(15,24)25/h4,7,9,11,13,15,17-18H,3,5-6,8,10,12,14H2,1-2H3,(H,30,35);2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,26,31)(H,29,32)/t15-,17-;11-,13-/m11/s1
InChIKeyLANFKMISMAEECF-ZYBKLPRLSA-N
MW979.00 g/mol
LogP7.54
Rot. Bonds14

About 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one

6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one (PubChem CID 159294332) has the molecular formula C50H50F4N10O7 and a molecular weight of 979.00 g/mol. Its IUPAC name is 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one.

Molecular Properties

Compound Name6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one
PubChem CID159294332
Molecular FormulaC50H50F4N10O7
Molecular Weight979.00 g/mol
Exact Mass978.38
IUPAC Name6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one
SMILESCCCOCN1C(=O)C(F)(F)c2ccc(-c3cc4ncn(C5CC5)c4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)cc21.C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C3(F)F)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C27H29F2N5O4.C23H21F2N5O3/c1-3-8-37-14-34-22-9-16(4-7-19(22)27(28,29)26(34)36)20-11-21-24(33(13-31-21)18-5-6-18)25(32-20)38-15(2)17-10-23(35)30-12-17;1-11(13-7-19(31)26-9-13)33-21-20-18(27-10-30(20)14-3-4-14)8-16(28-21)12-2-5-15-17(6-12)29-22(32)23(15,24)25/h4,7,9,11,13,15,17-18H,3,5-6,8,10,12,14H2,1-2H3,(H,30,35);2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,26,31)(H,29,32)/t15-,17-;11-,13-/m11/s1
InChIKeyLANFKMISMAEECF-ZYBKLPRLSA-N
XLogP7.54
TPSA196.72 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.00
LogP ≤ 57.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11203591, Example 181
CID 152916830
tert-butyl 4-(4-(3-(difluoromethyl)-4-((R)-1-((R)-5-oxopyrrolidin-3-yl)ethoxy)-3H-imidazo[4,5-c]pyridin-6-yl)phenyl)piperazine-1-carboxylate
CID 117842845
tert-butyl 4-[4-[3-(difluoromethyl)-4-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 117842846
(4R)-4-[(1R)-1-[3-cyclopropyl-6-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842954
4-[(1R)-1-[3-cyclopropyl-6-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842955
(R)-4-((R)-1-((3-(difluoromethyl)-6-(4-(piperazin-1-yl)phenyl)-3H-imidazo[4,5-c]pyridin-4-yl)oxy)ethyl)pyrrolidin-2-one
CID 117843082
4-[(1R)-1-[3-(difluoromethyl)-6-(4-piperazin-1-ylphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843083
(R)-4-((R)-1-((3-(difluoromethyl)-6-(3-methoxy-4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)-3H-imidazo[4,5-c]pyridin-4-yl)oxy)ethyl)pyrrolidin-2-one
CID 117843117
4-[(1R)-1-[3-(difluoromethyl)-6-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843118
6-(3-cyclopropyl-4-((R)-1-((R)-5-oxopyrrolidin-3-yl)ethoxy)-3H-imidazo[4,5-c]pyridin-6-yl)-1'-(2,2,2-trifluoroethyl)spiro[indoline-3,4'-piperidin]-2-one
CID 117843175
(R)-4-((R)-1-((6-(4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl)-3-(difluoromethyl)-3H-imidazo[4,5-c]pyridin-4-yl)oxy)ethyl)pyrrolidin-2-one
CID 117843191
4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-(difluoromethyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843192

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one?
The IUPAC name of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one (CID 159294332) is 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one.
What is the SMILES notation for 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one?
The canonical SMILES for 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one is CCCOCN1C(=O)C(F)(F)c2ccc(-c3cc4ncn(C5CC5)c4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)cc21.C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C3(F)F)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1.
What is the InChIKey of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one?
The InChIKey is LANFKMISMAEECF-ZYBKLPRLSA-N. The full InChI is InChI=1S/C27H29F2N5O4.C23H21F2N5O3/c1-3-8-37-14-34-22-9-16(4-7-19(22)27(28,29)26(34)36)20-11-21-24(33(13-31-21)18-5-6-18)25(32-20)38-15(2)17-10-23(35)30-12-17;1-11(13-7-19(31)26-9-13)33-21-20-18(27-10-30(20)14-3-4-14)8-16(28-21)12-2-5-15-17(6-12)29-22(32)23(15,24)25/h4,7,9,11,13,15,17-18H,3,5-6,8,10,12,14H2,1-2H3,(H,30,35);2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,26,31)(H,29,32)/t15-,17-;11-,13-/m11/s1.
What are the key properties of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one?
6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one has a molecular weight of 979.00 g/mol, XLogP of 7.54, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one;6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1-(propoxymethyl)indol-2-one is sourced from PubChem (CID 159294332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).